2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide

C17H21ClN4O3 — CID 97454003

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(COC[C@@H]2CCCO2)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O3/c18-13-5-3-12(4-6-13)9-22-17(20-16(21-22)8-15(19)23)11-24-10-14-2-1-7-25-14/h3-6,14H,1-2,7-11H2,(H2,19,23)/t14-/m0/s1
InChIKeyBYZGNODLEFLQLY-AWEZNQCLSA-N
MW364.83 g/mol
LogP1.70
Rot. Bonds8

About 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide

2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 97454003) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID97454003
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(COC[C@@H]2CCCO2)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O3/c18-13-5-3-12(4-6-13)9-22-17(20-16(21-22)8-15(19)23)11-24-10-14-2-1-7-25-14/h3-6,14H,1-2,7-11H2,(H2,19,23)/t14-/m0/s1
InChIKeyBYZGNODLEFLQLY-AWEZNQCLSA-N
XLogP1.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-[(4-methoxyphenyl)methyl]-5-(oxan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 131928681
4-[1-[(3-methylphenyl)methyl]-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]pyridine
CID 97437748
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 97185478
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
2-[[5-(4-chlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7456569
[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
CID 129404823
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
[[3-fluoro-4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]urea
CID 168532103

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide (CID 97454003) is 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(COC[C@@H]2CCCO2)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BYZGNODLEFLQLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c18-13-5-3-12(4-6-13)9-22-17(20-16(21-22)8-15(19)23)11-24-10-14-2-1-7-25-14/h3-6,14H,1-2,7-11H2,(H2,19,23)/t14-/m0/s1.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 364.83 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).